COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701943
Chemical Name: (5E)-2-(azepan-1-yl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazol-4(5H)-one
Smiles: O=C1N=C(S/C/1=C/c1ccc(o1)c1ccccc1[N+](=O)[O-])N1CCCCCC1

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Molecular Weight: 397.45
Empirical Formula: C20H19N3O4S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.473
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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